Andreas Hauser

Research Output

Research Output per year

2005 2020

• 56 Article
• 37 Abstract
• 34 Conference contribution
• 8 (Old data) Lecture or Presentation
• 12 More
  • 6 Poster
  • 2 Chapter
  • 1 Paper
  • 1 Comment/debate
  • 1 Patent
  • 1 Diploma Thesis

Research Output per year

Research Output per year

Search results

• 2020

  Geometry optimization using Gaussian process regression in internal coordinate systems

  Meyer, R. & Hauser, A. W., 28 Feb 2020, In : The Journal of Chemical Physics. 152, 8, 084112.

  Research output: Contribution to journal › Article

  • regression analysis
  • machine learning
  • Molecules
  • optimization
  • Geometry

• Machine Learning Approaches toward Orbital-free Density Functional Theory: Simultaneous Training on the Kinetic Energy Density Functional and Its Functional Derivative

  Meyer, R., Weichselbaum, M. & Hauser, A. W., 8 Sep 2020, In : Journal of Chemical Theory and Computation. 16, 9, p. 5685-5694 10 p.

  Research output: Contribution to journal › Article

  Open Access

  • machine learning
  • Kinetic energy
  • Density functional theory
  • Learning systems
  • education

• Metal clusters synthesized in helium droplets: structure and dynamics from experiment and theory

  Ernst, W. E. & Hauser, A. W., 2020, In : Physical Chemistry Chemical Physics. 22 p.

  Research output: Contribution to journal › Article

  • Helium
  • metal clusters
  • Metals
  • helium
  • computational chemistry

• Phase segregation in NiAu-nanoalloys induced by swift electrons

  Knez, D., Schnedlitz, M., Lasserus, M. I., Hauser, A., Ernst, W. E., Hofer, F. & Kothleitner, G., 2020, p. 1100.

  Research output: Contribution to conference › Abstract

• Phase segregation in NiAu-nanoalloys induced by swift electrons

  Knez, D., Schnedlitz, M., Lasserus, M. I., Hauser, A., Ernst, W. E., Hofer, F. & Kothleitner, G., 2020.

  Research output: Contribution to conference › Poster

• Thermally Induced Diffusion and Restructuring of Iron Triade (Fe, Co, Ni) Nanoparticles Passivated by Several Layers of Gold

  Schnedlitz, M., Knez, D., Lasserus, M., Hofer, F., Fernández-Perea, R., Hauser, A. W., Pilar De Lara-Castells, M. & Ernst, W. E., 30 Jul 2020, In : The Journal of Physical Chemistry / C. 124, 30, p. 16680-16688 9 p.

  Research output: Contribution to journal › Article

  Open Access

  • Gold
  • Iron
  • gold
  • Nanoparticles
  • iron
• 2019

  Conservation of Hot Thermal Spin-Orbit Population of ² P Atoms in a Cold Quantum Fluid Environment

  Thaler, B., Meyer, R., Heim, P., Ranftl, S., Pototschnig, J. V., Hauser, A. W., Koch, M. & Ernst, W. E., 9 May 2019, In : The Journal of Physical Chemistry / A. 123, 18, p. 3977-3984 8 p.

  Research output: Contribution to journal › Article

  • Helium
  • Ground state
  • conservation
  • Conservation
  • Orbits

• Effects of the Core Location on the Structural Stability of Ni-Au Core-Shell Nanoparticles

  Schnedlitz, M., Fernandez-Perea, R., Knez, D., Lasserus, M., Schiffmann, A., Hofer, F., Hauser, A. W., De Lara-Castells, M. P. & Ernst, W. E., 15 Aug 2019, In : The Journal of Physical Chemistry / C. 123, 32, p. 20037-20043 7 p.

  Research output: Contribution to journal › Article

  • structural stability
  • Nanoparticles
  • Superfluid helium
  • nanoparticles
  • Helium

• Exploring the Catalytic Properties of Unsupported and TiO₂-Supported Cu₅ Clusters: CO₂ Decomposition to CO and CO₂ Photoactivation

  López-Caballero, P., Hauser, A. W. & Pilar De Lara-Castells, M., 19 Sep 2019, In : The Journal of Physical Chemistry / C. 123, 37, p. 23064-23074 11 p.

  Research output: Contribution to journal › Article

  Open Access

  • Carbon Monoxide
  • Chemical activation
  • Decomposition
  • decomposition
  • Adsorption

• Hot spin-orbit population of In 2P3/2 in a cold quantum fluid environment

  Thaler, B., Meyer, R., Heim, P., Pototschnig, J. V., Hauser, A., Koch, M. & Ernst, W. E., Aug 2019, p. 180.

  Research output: Contribution to conference › Poster

• Hot thermal spin-orbit population of 2P atoms conserved in a cold quantum fluid environment

  Thaler, B., Meyer, R., Heim, P., Ranftl, S., Pototschnig, J. V., Hauser, A., Koch, M. & Ernst, W. E., Feb 2019, p. 1.

  Research output: Contribution to conference › Abstract

• Increasing the optical response of TiO₂ and extending it into the visible region through surface activation with highly stable Cu₅ clusters

  Pilar de Lara-Castells, M., Hauser, A. W., Ramallo-López, J. M., Buceta, D., Giovanetti, L. J., López-Quintela, M. A. & Requejo, F. G., 1 Jan 2019, In : Journal of Materials Chemistry A. 7, 13, p. 7489-7500 12 p.

  Research output: Contribution to journal › Article

  Open Access

  • Chemical activation
  • Gene Conversion
  • X ray absorption spectroscopy
  • Electrons
  • Absorption spectroscopy

• Machine Learning in Computational Chemistry: An Evaluation of Method Performance for Nudged Elastic Band Calculations

  Meyer, R., Schmuck, K. S. & Hauser, A. W., 1 Jan 2019, In : Journal of Chemical Theory and Computation.

  Research output: Contribution to journal › Article

  • Computational chemistry
  • computational chemistry
  • Potential energy surfaces
  • machine learning
  • Ethane

• Nanomaterials Synthesized in Helium Droplets

  Ernst, W. E., Hauser, A., Lackner, F., Knez, D. & Hofer, F., May 2019, p. 226.

  Research output: Contribution to conference › Abstract

• On the passivation of iron particles at the nanoscale

  Lasserus, M., Knez, D., Schnedlitz, M., Hauser, A. W., Hofer, F. & Ernst, W. E., 1 Jan 2019, In : Nanoscale Advances. 1, 6, p. 2276-2283 8 p.

  Research output: Contribution to journal › Article

  Open Access

  • Passivation
  • passivity
  • Iron
  • Superfluid helium
  • iron

• On the Stability of Cu₅ Catalysts in Air Using Multireference Perturbation Theory

  Zanchet, A., López-Caballero, P., Mitrushchenkov, A. O., Buceta, D., López-Quintela, M. A., Hauser, A. W. & Pilar De Lara-Castells, M., 7 Nov 2019, In : The Journal of Physical Chemistry / C. 123, 44, p. 27064-27072 9 p.

  Research output: Contribution to journal › Article

  • Physisorption
  • Chemisorption
  • chemisorption
  • perturbation theory
  • Chemical activation

• Synthesis of nanosized vanadium(v) oxide clusters below 10 nm

  Lasserus, M., Knez, D., Lackner, F., Schnedlitz, M., Messner, R., Schennach, D., Kothleitner, G., Hofer, F., Hauser, A. W. & Ernst, W. E., 1 Jan 2019, In : Physical Chemistry Chemical Physics. 21, 37, p. 21104-21108 5 p.

  Research output: Contribution to journal › Article

  Open Access

  • Vanadium
  • vanadium oxides
  • Oxides
  • synthesis
  • Transmission electron microscopy

• The impact of swift electrons on the segregation of Ni-Au nanoalloys

  Knez, D., Schnedlitz, M., Lasserus, M., Hauser, A., Ernst, W. E., Hofer, F. & Kothleitner, G., 16 Sep 2019, In : Applied Physics Letters. 115, 12, 123103.

  Research output: Contribution to journal › Article

  • Janus
  • miscibility gap
  • electrons
  • electron scattering
  • helium

• Vanadium(V) oxide clusters synthesized by sublimation from bulk under fully inert conditions

  Lasserus, M., Schnedlitz, M., Messner, R., Lackner, F., Ernst, W. E. & Hauser, A. W., 28 Mar 2019, In : Chemical Science. 10, 12, p. 3473-3480 8 p.

  Research output: Contribution to journal › Article

  • Vanadium
  • Sublimation
  • Oxides
  • Nanoparticles
  • Metals
• 2018

  A comparison of machine learning algorithms for transition state searches in computational chemistry

  Schmuck, K., Meyer, R. & Hauser, A., Sep 2018, 68th Annual Meeting of the Austrian Physical Society. Graz: Verlag der Technischen Universität Graz, p. 101

  Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

• A neural network based approach to SCF initial guesses

  Cartus, J. J., Meyer, R. & Hauser, A., Jun 2018, p. 50. 1 p.

  Research output: Contribution to conference › Abstract

• Applicability of Neural Network-based Approaches to SCF Initial Guess Generation

  Cartus, J. J., Meyer, R. & Hauser, A., Sep 2018, 68th Annual Meeting of the Austrian Physical Society. Graz: Verlag der Technischen Universität Graz, p. 101

  Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

• Chiral Separation via Molecular Sieving: A Computational Screening of Suitable Functionalizations for Nanoporous Graphene

  Fruehwirth, S. M., Meyer, R. & Hauser, A. W., 18 Sep 2018, In : ChemPhysChem. 19, 18, p. 2331-2339 9 p.

  Research output: Contribution to journal › Article

  • Graphite
  • Density functional theory
  • Screening
  • graphene
  • screening

• Core-Shell Nanoparticles for Plasmonics and Catalysis

  Schiffmann, A., Schnedlitz, M., Lasserus, M. I., Messner, R., Lackner, F., Hauser, A., Knez, D., Hofer, F. & Ernst, W. E., Oct 2018. 1 p.

  Research output: Contribution to conference › Abstract

• Core-shell nanoparticles prepared in superfluid helium droplets: structure, phase transitions, and alloy formation

  Schiffmann, A., Schnedlitz, M., Lasserus, M. I., Messner, R., Lackner, F., Meyer, R., Hauser, A., Knez, D., Hofer, F. & Ernst, W. E., Oct 2018. 1 p.

  Research output: Contribution to conference › Abstract

• Embedded atom model potentials for metallic nanoparticles based on neural networks

  Meyer, R., Fuchs, A. & Hauser, A., Jun 2018, p. 27. 1 p.

  Research output: Contribution to conference › Abstract

• Femtosecond photoexcitation dynamics inside a quantum solvent

  Thaler, B., Ranftl, S., Heim, P., Cesnik, S., Treiber, L., Meyer, R., Hauser, A. W., Ernst, W. E. & Koch, M., 1 Dec 2018, In : Nature Communications . 9, 1, 4006.

  Research output: Contribution to journal › Article

  Open Access

  • Helium
  • Photoexcitation
  • photoexcitation
  • Solvation
  • solvation

• Molecular Collisions in Helium Droplets: From Spatial Hindrance to Controlled Molecular Synthesis

  Hauser, A., De Lara-Castells, M. P. & Ernst, W. E., 25 Mar 2018.

  Research output: Contribution to conference › Abstract

• Neural network based embedded atom model potentials for metallic nanoparticles

  Meyer, R., Ernst, W. E. & Hauser, A., Sep 2018, 68th Annual Meeting of the Austrian Physical Society. Graz: Verlag der Technischen Universität Graz, p. 27

  Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

• On the stability of Ag-Au and Ni-Au core-shell particles at elevated temperatures: diffusion, oxidation and structural inversion at atomic resolution

  Schnedlitz, M., Lasserus, M. I., Meyer, R., Messner, R., Schiffmann, A., Lackner, F., Ernst, W. E., Hauser, A., Knez, D. & Hofer, F., Feb 2018. 1 p.

  Research output: Contribution to conference › Abstract

• On the Unexpected Alloying Behaviour of Ni-Au and Co-Au Core-Shell Nanoparticles,

  Hauser, A., Schnedlitz, M., Lasserus, M. I., Meyer, R., Ernst, W. E., Knez, D., Hofer, F., Fernandez-Perea, R. & De Lara-Castells, M. P., Dec 2018, p. 1.

  Research output: Contribution to conference › Abstract

• Stability of Core-Shell Nanoparticles for Catalysis at Elevated Temperatures: Structural Inversion in the Ni-Au System Observed at Atomic Resolution

  Schnedlitz, M., Lasserus, M., Meyer, R., Knez, D., Hofer, F., Ernst, W. E. & Hauser, A. W., 13 Feb 2018, In : Chemistry of Materials. 30, 3, p. 1113-1120 8 p.

  Research output: Contribution to journal › Article

  • Catalysis
  • Nanoparticles
  • Shells (structures)
  • Transmission electron microscopy
  • Cooling

• Temperature studies of Ni@Au and Co@Au core@shell systems on the nanoscale

  Schiffmann, A., Schnedlitz, M., Meyer, R., Lasserus, M. I., Messner, R., Lackner, F., Hauser, A., Ernst, W. E., Knez, D. & Hofer, F., Feb 2018. 1 p.

  Research output: Contribution to conference › Abstract

• Temperature Studies of Ni@Au and Co@Au Core@Shell Systems on the Nanoscale

  Schiffmann, A., Schnedlitz, M., Meyer, R., Lasserus, M. I., Messner, R., Lackner, F., Knez, D., Hofer, F., Hauser, A. & Ernst, W. E., 6 Feb 2018.

  Research output: Contribution to conference › Poster

• Theoretical insights into the oxidation of subnanometer-sized Cu5 clusters

  Zachnet, A., Mitrushchenkov, O., Hauser, A. & De Lara-Castells, M. P., Dec 2018.

  Research output: Contribution to conference › Abstract

• Thermally induced alloying processes in a bimetallic system at the nanoscale: AgAu sub-5 nm core-shell particles studied at atomic resolution

  Lasserus, M., Schnedlitz, M., Knez, D., Messner, R., Schiffmann, A., Lackner, F., Hauser, A. W., Hofer, F. & Ernst, W. E., 2018, In : Nanoscale. 10, 4, p. 2017-2024 8 p.

  Research output: Contribution to journal › Article

• Thermally induced alloying process in core@shell AgAu particles: A new method to measure diffusion on the nanoscale

  Lasserus, M. I., Schnedlitz, M., Hauser, A., Knez, D., Messner, R., Schiffmann, A., Lackner, F., Hofer, F. & Ernst, W. E., Sep 2018, p. 82.

  Research output: Contribution to conference › Abstract

• To be or not to be alloyed: The unexpected behaviour of Ni-Au and Co-Au core-shell nanoparticles upon heating

  Schnedlitz, M., Knez, D., Meyer, R., Lasserus, M. I., Messner, R., Schiffmann, A., Lackner, F., Hauser, A., Hofer, F. & Ernst, W. E., Sep 2018, 68th Annual Meeting of the Austrian Physical Society. Graz: Verlag der Technischen Universität Graz, p. 82

  Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

• Transition state search accelerated with machine learning algorithms

  Schmuck, K. & Hauser, A., Jun 2018, p. 76. 1 p.

  Research output: Contribution to conference › Abstract
• 2017

  Ab Initio Confirmation of a Harpoon-Type Electron Transfer in a Helium Droplet

  De Lara-Castells, M. P., Hauser, A. W. & Mitrushchenkov, A. O., 7 Sep 2017, In : Journal of Physical Chemistry Letters. 8, 17, p. 4284-4288 5 p.

  Research output: Contribution to journal › Article

  • Helium
  • Superfluid helium
  • Electrons
  • Molecules
  • Ionization

• A coarse-grained Monte Carlo approach to diffusion processes in metallic nanoparticles

  Hauser, A. W., Schnedlitz, M. & Ernst, W. E., 1 Jun 2017, In : The European physical journal / D. 71, 6, 150.

  Research output: Contribution to journal › Article

  • surface diffusion
  • nanoparticles
  • cellular automata
  • imaging techniques
  • wetting

• Alkali-metal – alkaline-earth-metal diatomics: analysis of de-excitation mechanisms for population transfer from weakly bound states to the lowest ground state levels

  Pototschnig, J. V., Meyer, R., Hauser, A. & Ernst, W. E., Aug 2017, p. 101.

  Research output: Contribution to conference › Abstract

• Electronic excitation and nuclear motion of atomic dopants in He nanodroplets

  Hauser, A., Schnedlitz, M., Pototschnig, J. V., Meyer, R. & Ernst, W. E., Oct 2017, p. 18.

  Research output: Contribution to conference › Abstract

• Influence of spin-orbit quenching on the solvation of indium in helium droplets

  Meyer, R., Pototschnig, J. V., Ernst, W. E. & Hauser, A., Jun 2017.

  Research output: Contribution to conference › Abstract

• In situ studies of high-purity mono- and bimetallic nanostructures in experiment and simulation

  Knez, D., Schnedlitz, M., Lasserus, M. I., Kothleitner, G., Hauser, A., Ernst, W. E. & Hofer, F., 2017.

  Research output: Contribution to conference › Poster

  File

• In situ studies of high-purity mono- and bimetallic nanostructures in experiment and simulation

  Knez, D., Schnedlitz, M., Lasserus, M. I., Kothleitner, G., Hauser, A., Ernst, W. E. & Hofer, F., 2017, ASEM. p. 47

  Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

• In situ studies of high-purity mono- and bimetallic nanostructures in experiment and simulation

  Knez, D., Schnedlitz, M., Lasserus, M. I., Kothleitner, G., Hauser, A., Ernst, W. E. & Hofer, F., Aug 2017, p. 582.

  Research output: Contribution to conference › Abstract

• In situ studies of high-purity mono- and bimetallic nanostructures in experiment and simulation

  Knez, D., Schnedlitz, M., Lasserus, M. I., Kothleitner, G., Hauser, A., Ernst, W. E. & Hofer, F., 2017.

  Research output: Contribution to conference › Poster

  File

• Lowest electronic states of alkali (Li, Na, K, Rb) – alkaline-earth (Ca, Sr) diatomic molecules

  Pototschnig, J. V., Meyer, R., Hauser, A. & Ernst, W. E., Aug 2017, p. 599.

  Research output: Contribution to conference › Abstract

• Metallic nanoparticles prepared in superfluid helium droplets: structure, phase transitions, alloy formation

  Schnedlitz, M., Lasserus, M. I., Knez, D., Hauser, A., Hofer, F. & Ernst, W. E., Apr 2017.

  Research output: Contribution to conference › Abstract